2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide

C20H30N4O2 — CID 30635957

IUPAC2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N4O2/c1-16(17-5-3-2-4-6-17)13-21-19(25)14-23-9-11-24(12-10-23)15-20(26)22-18-7-8-18/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1
InChIKeyHDYVCUXWVZAKGC-INIZCTEOSA-N
MW358.49 g/mol
LogP0.80
Rot. Bonds8

About 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 30635957) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID30635957
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1
InChIInChI=1S/C20H30N4O2/c1-16(17-5-3-2-4-6-17)13-21-19(25)14-23-9-11-24(12-10-23)15-20(26)22-18-7-8-18/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1
InChIKeyHDYVCUXWVZAKGC-INIZCTEOSA-N
XLogP0.80
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
2-[4-[2-(2,2-diphenylethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 30737553
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-N-(2-phenylpropyl)acetamide
CID 51104331
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
CID 162078080
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8997587
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
N-cyclopropyl-2-[4-[N'-methyl-N-(2-phenylsulfanylpropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111496227

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide (CID 30635957) is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is HDYVCUXWVZAKGC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-16(17-5-3-2-4-6-17)13-21-19(25)14-23-9-11-24(12-10-23)15-20(26)22-18-7-8-18/h2-6,16,18H,7-15H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1.
What are the key properties of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 30635957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).